* [MAQAO] Info: Detected 256 Lprof instances in isix04.benchmarkcenter.megware.com.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.14 Build 20240911 (id: b3fc682)
[0] MPI startup(): Copyright (C) 2003-2024 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2025.0.0/mpi/2021.14/opt/mpi/etc/tuning_gnr_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 58722 isix04.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 58848 isix04.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 58886 isix04.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 58777 isix04.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 58808 isix04.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 58700 isix04.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 58888 isix04.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 58756 isix04.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 58876 isix04.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 58732 isix04.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 58639 isix04.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 58768 isix04.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 58763 isix04.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 58799 isix04.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 58778 isix04.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 58852 isix04.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 58865 isix04.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 58856 isix04.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 58811 isix04.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 58788 isix04.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 58681 isix04.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 58676 isix04.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 58765 isix04.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 58815 isix04.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 58701 isix04.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 58739 isix04.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 58766 isix04.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 58650 isix04.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 58827 isix04.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 58677 isix04.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 58787 isix04.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 58822 isix04.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 58800 isix04.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 58884 isix04.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 58847 isix04.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 58729 isix04.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 58795 isix04.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 58674 isix04.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 58648 isix04.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 58727 isix04.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 58879 isix04.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 58773 isix04.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 58707 isix04.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 58791 isix04.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 58841 isix04.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 58818 isix04.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 58796 isix04.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 58704 isix04.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 58647 isix04.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 58761 isix04.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 58760 isix04.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 58645 isix04.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 58644 isix04.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 58652 isix04.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 58653 isix04.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 58845 isix04.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 58658 isix04.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 58825 isix04.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 58713 isix04.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 58712 isix04.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 58717 isix04.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 58842 isix04.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 58863 isix04.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 58883 isix04.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 58889 isix04.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 58890 isix04.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 58641 isix04.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 58735 isix04.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 58780 isix04.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 58809 isix04.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 58774 isix04.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 58718 isix04.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 58654 isix04.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 58790 isix04.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 58775 isix04.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 58714 isix04.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 58646 isix04.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 58830 isix04.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 58839 isix04.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 58838 isix04.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 58742 isix04.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 58747 isix04.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 58782 isix04.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 58764 isix04.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 58746 isix04.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 58657 isix04.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 58755 isix04.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 58834 isix04.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 58868 isix04.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 58643 isix04.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 58843 isix04.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 58726 isix04.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 58649 isix04.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 58797 isix04.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 58789 isix04.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 58720 isix04.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 58651 isix04.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 58738 isix04.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 58801 isix04.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 58802 isix04.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 58697 isix04.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 58752 isix04.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 58864 isix04.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 58737 isix04.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 58810 isix04.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 58861 isix04.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 58812 isix04.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 58784 isix04.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 58897 isix04.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 58860 isix04.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 58803 isix04.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 58804 isix04.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 58887 isix04.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 58666 isix04.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 58832 isix04.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 58665 isix04.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 58878 isix04.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 58695 isix04.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 58781 isix04.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 58754 isix04.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 58753 isix04.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 58734 isix04.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 58728 isix04.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 58744 isix04.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 58794 isix04.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 58721 isix04.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 58664 isix04.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 58656 isix04.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 58684 isix04.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 58892 isix04.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 58891 isix04.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 58673 isix04.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 58831 isix04.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 58690 isix04.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 58668 isix04.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 58675 isix04.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 58821 isix04.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 58776 isix04.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 58640 isix04.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 58880 isix04.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 58708 isix04.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 58642 isix04.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 58685 isix04.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 58687 isix04.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 58678 isix04.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 58748 isix04.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 58875 isix04.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 58869 isix04.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 58694 isix04.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 58837 isix04.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 58814 isix04.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 58895 isix04.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 58806 isix04.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 58816 isix04.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 58855 isix04.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 58686 isix04.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 58716 isix04.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 58854 isix04.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 58683 isix04.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 58691 isix04.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 58692 isix04.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 58840 isix04.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 58689 isix04.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 58679 isix04.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 58896 isix04.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 58820 isix04.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 58693 isix04.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 58715 isix04.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 58688 isix04.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 58872 isix04.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 58858 isix04.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 58786 isix04.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 58785 isix04.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 58893 isix04.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 58870 isix04.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 58877 isix04.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 58828 isix04.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 58866 isix04.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 58698 isix04.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 58662 isix04.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 58770 isix04.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 58771 isix04.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 58792 isix04.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 58767 isix04.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 58769 isix04.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 58867 isix04.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 58857 isix04.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 58696 isix04.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 58757 isix04.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 58762 isix04.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 58798 isix04.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 58759 isix04.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 58844 isix04.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 58660 isix04.benchmarkcenter.megware.com {193}
[0] MPI startup(): 194 58743 isix04.benchmarkcenter.megware.com {194}
[0] MPI startup(): 195 58724 isix04.benchmarkcenter.megware.com {195}
[0] MPI startup(): 196 58824 isix04.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 58725 isix04.benchmarkcenter.megware.com {197}
[0] MPI startup(): 198 58849 isix04.benchmarkcenter.megware.com {198}
[0] MPI startup(): 199 58826 isix04.benchmarkcenter.megware.com {199}
[0] MPI startup(): 200 58881 isix04.benchmarkcenter.megware.com {200}
[0] MPI startup(): 201 58723 isix04.benchmarkcenter.megware.com {201}
[0] MPI startup(): 202 58813 isix04.benchmarkcenter.megware.com {202}
[0] MPI startup(): 203 58730 isix04.benchmarkcenter.megware.com {203}
[0] MPI startup(): 204 58807 isix04.benchmarkcenter.megware.com {204}
[0] MPI startup(): 205 58733 isix04.benchmarkcenter.megware.com {205}
[0] MPI startup(): 206 58894 isix04.benchmarkcenter.megware.com {206}
[0] MPI startup(): 207 58655 isix04.benchmarkcenter.megware.com {207}
[0] MPI startup(): 208 58772 isix04.benchmarkcenter.megware.com {208}
[0] MPI startup(): 209 58702 isix04.benchmarkcenter.megware.com {209}
[0] MPI startup(): 210 58709 isix04.benchmarkcenter.megware.com {210}
[0] MPI startup(): 211 58805 isix04.benchmarkcenter.megware.com {211}
[0] MPI startup(): 212 58758 isix04.benchmarkcenter.megware.com {212}
[0] MPI startup(): 213 58741 isix04.benchmarkcenter.megware.com {213}
[0] MPI startup(): 214 58659 isix04.benchmarkcenter.megware.com {214}
[0] MPI startup(): 215 58846 isix04.benchmarkcenter.megware.com {215}
[0] MPI startup(): 216 58835 isix04.benchmarkcenter.megware.com {216}
[0] MPI startup(): 217 58661 isix04.benchmarkcenter.megware.com {217}
[0] MPI startup(): 218 58779 isix04.benchmarkcenter.megware.com {218}
[0] MPI startup(): 219 58663 isix04.benchmarkcenter.megware.com {219}
[0] MPI startup(): 220 58817 isix04.benchmarkcenter.megware.com {220}
[0] MPI startup(): 221 58751 isix04.benchmarkcenter.megware.com {221}
[0] MPI startup(): 222 58740 isix04.benchmarkcenter.megware.com {222}
[0] MPI startup(): 223 58736 isix04.benchmarkcenter.megware.com {223}
[0] MPI startup(): 224 58670 isix04.benchmarkcenter.megware.com {224}
[0] MPI startup(): 225 58731 isix04.benchmarkcenter.megware.com {225}
[0] MPI startup(): 226 58667 isix04.benchmarkcenter.megware.com {226}
[0] MPI startup(): 227 58680 isix04.benchmarkcenter.megware.com {227}
[0] MPI startup(): 228 58671 isix04.benchmarkcenter.megware.com {228}
[0] MPI startup(): 229 58703 isix04.benchmarkcenter.megware.com {229}
[0] MPI startup(): 230 58793 isix04.benchmarkcenter.megware.com {230}
[0] MPI startup(): 231 58819 isix04.benchmarkcenter.megware.com {231}
[0] MPI startup(): 232 58836 isix04.benchmarkcenter.megware.com {232}
[0] MPI startup(): 233 58853 isix04.benchmarkcenter.megware.com {233}
[0] MPI startup(): 234 58829 isix04.benchmarkcenter.megware.com {234}
[0] MPI startup(): 235 58885 isix04.benchmarkcenter.megware.com {235}
[0] MPI startup(): 236 58750 isix04.benchmarkcenter.megware.com {236}
[0] MPI startup(): 237 58850 isix04.benchmarkcenter.megware.com {237}
[0] MPI startup(): 238 58699 isix04.benchmarkcenter.megware.com {238}
[0] MPI startup(): 239 58706 isix04.benchmarkcenter.megware.com {239}
[0] MPI startup(): 240 58783 isix04.benchmarkcenter.megware.com {240}
[0] MPI startup(): 241 58862 isix04.benchmarkcenter.megware.com {241}
[0] MPI startup(): 242 58871 isix04.benchmarkcenter.megware.com {242}
[0] MPI startup(): 243 58669 isix04.benchmarkcenter.megware.com {243}
[0] MPI startup(): 244 58672 isix04.benchmarkcenter.megware.com {244}
[0] MPI startup(): 245 58749 isix04.benchmarkcenter.megware.com {245}
[0] MPI startup(): 246 58859 isix04.benchmarkcenter.megware.com {246}
[0] MPI startup(): 247 58745 isix04.benchmarkcenter.megware.com {247}
[0] MPI startup(): 248 58705 isix04.benchmarkcenter.megware.com {248}
[0] MPI startup(): 249 58833 isix04.benchmarkcenter.megware.com {249}
[0] MPI startup(): 250 58874 isix04.benchmarkcenter.megware.com {250}
[0] MPI startup(): 251 58882 isix04.benchmarkcenter.megware.com {251}
[0] MPI startup(): 252 58851 isix04.benchmarkcenter.megware.com {252}
[0] MPI startup(): 253 58711 isix04.benchmarkcenter.megware.com {253}
[0] MPI startup(): 254 58710 isix04.benchmarkcenter.megware.com {254}
[0] MPI startup(): 255 58823 isix04.benchmarkcenter.megware.com {255}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.615 3.615 3.615
Created orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
8 by 4 by 8 MPI processor grid
Created 32768000 atoms
using lattice units in orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
create_atoms CPU = 0.021 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: GNU C++ 14.2.0
SIMD compiler directives: Disabled
Precision: mixed
----------------------------------------------------------
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.979
10 475.79341 -1.1121047e+08 0 -1.091952e+08 64942.605
Loop time of 1.05542 on 256 procs for 10 steps with 32768000 atoms
Performance: 4.093 ns/day, 5.863 hours/ns, 9.475 timesteps/s, 310.472 Matom-step/s
99.0% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.80102 | 0.82481 | 0.84411 | 0.8 | 78.15
Neigh | 0.092513 | 0.094048 | 0.096437 | 0.2 | 8.91
Comm | 0.030189 | 0.051657 | 0.085611 | 4.7 | 4.89
Output | 0.0014683 | 0.0029269 | 0.0049822 | 1.4 | 0.28
Modify | 0.032481 | 0.060578 | 0.071556 | 2.9 | 5.74
Other | | 0.02141 | | | 2.03
Nlocal: 128000 ave 128127 max 127867 min
Histogram: 4 14 23 26 63 44 35 24 16 7
Nghost: 49871 ave 50004 max 49744 min
Histogram: 7 16 22 36 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84289e+06 max 4.79425e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641768
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: GNU C++ 14.2.0
SIMD compiler directives: Disabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79341 -1.1121047e+08 0 -1.091952e+08 64942.605
50 780.89878 -1.1250693e+08 0 -1.0919936e+08 52278.947
100 798.34168 -1.1258126e+08 0 -1.0919981e+08 51472.989
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.288
200 797.61741 -1.1257821e+08 0 -1.0919982e+08 51537.354
250 797.85529 -1.1257922e+08 0 -1.0919983e+08 51529.072
300 797.68652 -1.125785e+08 0 -1.0919982e+08 51538.826
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.48
400 797.74806 -1.1257875e+08 0 -1.0919981e+08 51540.401
450 797.84591 -1.1257917e+08 0 -1.0919981e+08 51536.941
500 797.72485 -1.1257864e+08 0 -1.091998e+08 51543.019
510 797.68294 -1.1257846e+08 0 -1.091998e+08 51545.146
Loop time of 75.3973 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.865 ns/day, 8.377 hours/ns, 6.632 timesteps/s, 217.302 Matom-step/s
99.0% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 57.935 | 59.106 | 61.146 | 6.5 | 78.39
Neigh | 8.3775 | 8.7094 | 9.2924 | 8.6 | 11.55
Comm | 1.8679 | 3.8365 | 6.1755 | 43.1 | 5.09
Output | 0.016845 | 0.05425 | 0.1006 | 9.2 | 0.07
Modify | 1.097 | 2.6071 | 3.359 | 33.2 | 3.46
Other | | 1.084 | | | 1.44
Nlocal: 128000 ave 128315 max 127672 min
Histogram: 5 15 27 34 43 40 45 22 18 7
Nghost: 49867.6 ave 50195 max 49554 min
Histogram: 7 17 24 45 40 44 32 26 16 5
Neighs: 4.83163e+06 ave 4.86164e+06 max 4.79879e+06 min
Histogram: 5 18 37 40 21 18 39 39 33 6
Total # of neighbors = 1.2368964e+09
Ave neighs/atom = 37.747082
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:17
[MAQAO] Info: 167/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0
To display your profiling results:
####################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
####################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758135948/tools/lprof_npsu_run_0 #
####################################################################################################################################################################################################################
